| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | ACVR1 | ACVR1_HUMAN | 5S7QB | Q04771 | 205 | 499 | 509.0 | XJM:1801,LU8:1802,XJM:1806 | Allosteric,Type1,Allosteric | Inactive | DFGin | 7.0354 | 13.341 | BLAminus | -124.49, 160.57 | 78.3, 88.59 | -102.07, 16.77 | 299.19, 176.61 | -55.48, -25.66 | in-out | in | 8.6067 | Saltbr-out | 4.5008 | HRD-in | -84.23, -49.81 | 75.94, -2.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8845 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -124.81, 167.47 | APE9-dihe-na | -59.06, 164.28 | APE8-dihe-in | -59.12, 123.47 | APE8-rot-in | 303.32 | APE67-dihe-in | -63.13, -25.62 | -55.86, -41.03 | APE12-dist-in | 10.2953 | APE11-dist-out | 6.5068 | APE10-dist-out | 8.8401 | APE9-dist-in | 3.7438 | Q207D | None | None | XRAY | 1.53 | 0.209 | 0.243 | B | 301.0 | 291.0 | 4 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7q | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| TKL | ACVR1 | ACVR1_HUMAN | 5S7QA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3905 | 13.1124 | BLAminus | -122.32, 165.01 | 69.61, 90.09 | -98.74, 20.54 | 300.47, 4.84 | -55.87, -28.73 | in-out | in | 9.1154 | Saltbr-out | 6.1758 | HRD-in | -80.49, -54.34 | 80.36, -1.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9335 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.26, 178.66 | APE9-dihe-na | -63.48, 166.31 | APE8-dihe-in | -61.68, 126.19 | APE8-rot-in | 310.31 | APE67-dihe-in | -52.14, -34.66 | -61.41, -42.72 | APE12-dist-none | 999.0 | APE11-dist-out | 6.7892 | APE10-dist-out | 8.8904 | APE9-dist-in | 3.5385 | Q207D | None | None | XRAY | 1.53 | 0.209 | 0.243 | A | 301.0 | 282.0 | 16 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7q | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | ACVR1 | ACVR1_HUMAN | 5S7QB | Q04771 | 205 | 499 | 509.0 | XJM:1801,LU8:1802,XJM:1806 | Allosteric,Type1,Allosteric | Inactive | DFGin | 7.0354 | 13.341 | BLAminus | -124.49, 160.57 | 78.3, 88.59 | -102.07, 16.77 | 299.19, 176.61 | -55.48, -25.66 | in-out | in | 8.6067 | Saltbr-out | 4.5008 | HRD-in | -84.23, -49.81 | 75.94, -2.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8845 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -124.81, 167.47 | APE9-dihe-na | -59.06, 164.28 | APE8-dihe-in | -59.12, 123.47 | APE8-rot-in | 303.32 | APE67-dihe-in | -63.13, -25.62 | -55.86, -41.03 | APE12-dist-in | 10.2953 | APE11-dist-out | 6.5068 | APE10-dist-out | 8.8401 | APE9-dist-in | 3.7438 | Q207D | None | None | XRAY | 1.53 | 0.209 | 0.243 | B | 301.0 | 291.0 | 4 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7q | Homo sapiens | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| TKL | ACVR1 | ACVR1_HUMAN | 5S7QA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3905 | 13.1124 | BLAminus | -122.32, 165.01 | 69.61, 90.09 | -98.74, 20.54 | 300.47, 4.84 | -55.87, -28.73 | in-out | in | 9.1154 | Saltbr-out | 6.1758 | HRD-in | -80.49, -54.34 | 80.36, -1.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9335 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.26, 178.66 | APE9-dihe-na | -63.48, 166.31 | APE8-dihe-in | -61.68, 126.19 | APE8-rot-in | 310.31 | APE67-dihe-in | -52.14, -34.66 | -61.41, -42.72 | APE12-dist-none | 999.0 | APE11-dist-out | 6.7892 | APE10-dist-out | 8.8904 | APE9-dist-in | 3.5385 | Q207D | None | None | XRAY | 1.53 | 0.209 | 0.243 | A | 301.0 | 282.0 | 16 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7q | Homo sapiens | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|